SCHEMBL950429

SCHEMBL950429

O=Cc1ccc(Oc2nnnn2Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
ALDH1A1 P00352 9/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 4/20 0.43
P2RX7 Q99572 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPBWR1 P48145 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28210571 0.75 LMNA (0.57) ALDH1A1HTTLMNAP2RX7KMT2A
Hydrochloric Acid SCHEMBL27925071 0.74 LMNA (0.55) ALDH1A1HTTLMNAP2RX7KMT2A
SCHEMBL22114391 0.72 LMNA (0.53) ALDH1A1LMNAP2RX7KMT2AMEN1
SCHEMBL1648155 0.69 P2RX7 (0.60) ALDH1A1LMNAP2RX7KMT2A
SCHEMBL7684043 0.68 ALDH1A1 (0.54) ALDH1A1HTTLMNAKDM4EMAPT
SCHEMBL888020 0.67 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL97639 0.67 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL3748738 0.67 ERCC5 (0.51) ALDH1A1HTTLMNAKDM4EMAPT
SCHEMBL1222314 0.66 RAB9A (0.62) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL6361740 0.66 P2RX7 (0.65) ALDH1A1HTTLMNAP2RX7MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL ATM 3716/4885ALDH1A1 1657/4885HTT 368/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.